1-(2,4-dimethylphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea

C19H24N2OS — CID 99643588

IUPAC1-(2,4-dimethylphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea
SMILESCc1ccc(NC(=S)N[C@H](C)COc2ccccc2C)c(C)c1
InChIInChI=1S/C19H24N2OS/c1-13-9-10-17(15(3)11-13)21-19(23)20-16(4)12-22-18-8-6-5-7-14(18)2/h5-11,16H,12H2,1-4H3,(H2,20,21,23)/t16-/m1/s1
InChIKeyUKKOQQHJCNAGJL-MRXNPFEDSA-N
MW328.48 g/mol
LogP4.37
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea

1-(2,4-dimethylphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea (PubChem CID 99643588) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea
PubChem CID99643588
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name1-(2,4-dimethylphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea
SMILESCc1ccc(NC(=S)N[C@H](C)COc2ccccc2C)c(C)c1
InChIInChI=1S/C19H24N2OS/c1-13-9-10-17(15(3)11-13)21-19(23)20-16(4)12-22-18-8-6-5-7-14(18)2/h5-11,16H,12H2,1-4H3,(H2,20,21,23)/t16-/m1/s1
InChIKeyUKKOQQHJCNAGJL-MRXNPFEDSA-N
XLogP4.37
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylphenyl)-3-(1-phenoxypropan-2-yl)thiourea
CID 133217057
1-[(2R)-1-(2-methylphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea
CID 99643583
1-(2-ethoxyphenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea
CID 100706087
1-[(2S)-1-(2-methylphenoxy)propan-2-yl]-3-(5-methyl-2-pyridinyl)thiourea
CID 100707477
1-[(2R)-butan-2-yl]-3-(2,4-dimethylphenyl)thiourea
CID 2363033
1-(3-methoxyphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea
CID 95045491
1-[(2R)-1-(2-methylphenoxy)propan-2-yl]-3-(3-methyl-2-pyridinyl)thiourea
CID 100707457
1-(3-chlorophenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea
CID 95045497
1-(4-methoxyphenyl)-3-[1-(2-methylphenoxy)propan-2-yl]thiourea
CID 47511471
2,4-dimethyl-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 133201539
1-(2,4-dimethoxyphenyl)-3-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]thiourea
CID 100751227
1-(4-bromo-3-chlorophenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea
CID 100706550

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea (CID 99643588) is 1-(2,4-dimethylphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea is Cc1ccc(NC(=S)N[C@H](C)COc2ccccc2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea?
The InChIKey is UKKOQQHJCNAGJL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-13-9-10-17(15(3)11-13)21-19(23)20-16(4)12-22-18-8-6-5-7-14(18)2/h5-11,16H,12H2,1-4H3,(H2,20,21,23)/t16-/m1/s1.
What are the key properties of 1-(2,4-dimethylphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea?
1-(2,4-dimethylphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea has a molecular weight of 328.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea is sourced from PubChem (CID 99643588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).